SCHEMBL6845929

SCHEMBL6845929

CCC(CC)Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PAX8 Q06710 1/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL11452957 0.87 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL27806096 0.87 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL28426970 0.85 MAOA (0.52) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL1453943 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL11407917 0.82 LMNA (0.41) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL28426426 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL15196532 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL27804817 0.81 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL10436359 0.80 CSNK1E (0.41) ALDH1A1LMNAPAX8
SCHEMBL5968015 0.80 CSNK1E (0.41) ALDH1A1LMNAPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164880-A Biphenyl trifluoro ethylsulfide compound and application thereof 沈阳中化农药化工研发有限公司 2024-06-11 CN disclosed
WO-2011082337-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORP. (US) 2011-07-07 WO disclosed
US-5912212-A OIL WITH 3-METHYL-5-TERT-BUTYL-4-HYDROXYPHENYL FATTY ESTER, SULFUR AND PHOSPHORUS NIPPON OIL CO., LTD. (JP) 1999-06-15 US disclosed
EP-0781834-A2 Lubricating oil composition NIPPON OIL CO. LTD. (JP) 1997-07-02 EP disclosed
EP-0382046-A2 Electrically conductive resist composition, process for its production and its use HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-16 EP disclosed