SCHEMBL4075327

SCHEMBL4075327

CCC(=O)CCC1(CC(=O)O)CCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
CACNA2D1 P54289 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.38
HSD11B1 P28845 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.34

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
SCHEMBL24810529 0.82 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL3402007 0.82 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL16312791 0.80 CYP1A2 (0.55) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL11937857 0.79 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL13563890 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL27685887 0.77 CYP1A2 (0.52) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL2920990 0.76 CYP1A2 (0.59) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL244829 0.76 TSHR (0.50) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL528544 0.76 CYP1A2 (0.55) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL337085 0.75 ALDH1A1 (0.70) ALDH1A1CYP1A2TSHRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728866-A Process for the preparation of (+)-(1R) -cis-3-oxo-2-pentyl-1-cyclopentaneacetic acid FIRMENICH SA (CH) 1998-03-17 US claimed
US-7524485-B2 Skin lightening agents, compositions and methods UNILEVER HOME & PERSONAL CARE, USA, DIVISION OF CONOPCO, INC. (US) 2009-04-28 US disclosed
US-6875425-B2 Skin lightening agents, compositions and methods UNILEVER HOME & PERSONAL CARE USA (US) 2005-04-05 US disclosed