SCHEMBL8861677

SCHEMBL8861677

C=C(Cc1ccc(OCC)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.49
CNR2 P34972 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NQO1 P15559 1/20 0.48
PARP10 Q53GL7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PLA2G4B P0C869 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
NLRP3 Q96P20 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL15301164 0.83 L3MBTL1 (0.54) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL7060790 0.82 CTBP2 (0.60) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL8735351 0.82 ERCC5 (0.55) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL503308 0.82 PLA2G4B (0.58) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL3426193 0.81 CA2 (0.46) HPGDALDH1A1
Hydrochloric Acid SCHEMBL2528810 0.80 PLA2G4B (0.56) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2528806 0.80 ALDH1A1 (0.54) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL6169826 0.80 ALOX5 (0.61) L3MBTL1PARP10CYP2C19
SCHEMBL28972445 0.80 FFAR1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6442701 0.80 ALDH1A1 (0.52) SMN1; SMN2HPGDALDH1A1MAPTTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104781353-A Fluorescent ink composition, and preparation method therefor KIM HEE-JOON 2015-07-15 CN disclosed
US-5670531-A ENKEPHALINASE OR ANGIOTENSIN CONVERTING ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-09-23 US disclosed
US-5599951-A ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-02-04 US disclosed
US-4329495-A USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES PFIZER INC. (US) 1982-05-11 US disclosed