SCHEMBL1644161

SCHEMBL1644161

CC(O)CC(=O)NC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
MME P08473 4/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
LTA4H P09960 2/20 0.38
ANPEP P15144 1/20 0.38
ECE1 P42892 1/20 0.38
TP53 P04637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1644160 1.00 FAAH (0.46) FAAHSMN1; SMN2ALDH1A1MAPTMME
Glycine SCHEMBL28537104 0.90 FAAH (0.41) FAAHSMN1; SMN2ALDH1A1MAPTMME
Valine SCHEMBL28546102 0.87 SLC7A5 (0.52) FAAHSMN1; SMN2ALDH1A1MAPTMME
SCHEMBL21261643 0.86 PSMB5 (0.46) FAAHSMN1; SMN2ALDH1A1MAPTMME
SCHEMBL21261644 0.86 PSMB5 (0.46) FAAHSMN1; SMN2ALDH1A1MAPTMME
SCHEMBL11312877 0.84 SMN1; SMN2 (0.46) FAAHSMN1; SMN2ALDH1A1MAPTMME
SCHEMBL11312881 0.84 SMN1; SMN2 (0.46) FAAHSMN1; SMN2ALDH1A1MAPTMME
SCHEMBL10445577 0.84 SMN1; SMN2 (0.46) FAAHSMN1; SMN2ALDH1A1MAPTMME
SCHEMBL21261787 0.83 MME (0.41) MMEACECPA1ACE2LTA4H
Isoleucine SCHEMBL28534804 0.83 MME (0.45) FAAHSMN1; SMN2ALDH1A1MAPTMME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022190030-A1 A TOPICAL FORMULATION FOR THE TREATMENT OF SKIN DISEASES AVACA PHARMA PRIVATE LIMITED (IN) 2022-09-15 WO claimed
US-9421262-B2 Compositions and methods for treating dermatological conditions BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2016-08-23 US claimed
WO-2011051813-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS PAUL HARBHAJAN S (US) 2011-05-05 WO claimed
US-20110098229-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS BIOMED RESEARCH & TECHNOLOGIES, INC. 2011-04-28 US claimed
EP-1098630-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION Biomed Research and Technologies, Inc. (US) 2001-05-16 EP claimed
US-6149924-A FOR TOPICAL APPLICATION BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2000-11-21 US claimed
WO-2000004870-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION BIOMED RESEARCH AND TECHNOLOGIES, INC. (US) 2000-02-03 WO claimed
WO-2022190030-A1 A TOPICAL FORMULATION FOR THE TREATMENT OF SKIN DISEASES AVACA PHARMA PRIVATE LIMITED (IN) 2022-09-15 WO disclosed
CN-108017555-B Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof 郑州海斯威生物技术有限公司 2021-03-26 CN disclosed
WO-2019104851-A4 BETA-HYDROXYBUTYRYL-AMINO ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 刘成 2019-08-15 WO disclosed
WO-2019104851-A4 BETA-HYDROXYBUTYRYL-AMINO ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 刘成 2019-08-15 WO disclosed
US-9421262-B2 Compositions and methods for treating dermatological conditions BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
WO-2011051813-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS PAUL HARBHAJAN S (US) 2011-05-05 WO disclosed
US-20110098229-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS BIOMED RESEARCH & TECHNOLOGIES, INC. 2011-04-28 US disclosed
EP-1098630-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION Biomed Research and Technologies, Inc. (US) 2001-05-16 EP disclosed
US-6149924-A FOR TOPICAL APPLICATION BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2000-11-21 US disclosed
WO-2000004870-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION BIOMED RESEARCH AND TECHNOLOGIES, INC. (US) 2000-02-03 WO disclosed