SCHEMBL10909727

SCHEMBL10909727

CCCCC[C@H]1CC[C@H](C2CCC(c3ccc(C(=O)OCCCC)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK1 P28482 2/20 0.50
ESR1 P03372 1/20 0.50
CYP2D6 P10635 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.49
PDE4D Q08499 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
STS P08842 7/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL10909735 1.00 CYP2C9 (0.51) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10909731 1.00 CYP2C9 (0.51) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10907828 0.99 CYP2C9 (0.50) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10907832 0.99 CYP2C9 (0.50) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10907837 0.99 CYP2C9 (0.50) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10910005 0.98 CYP2C9 (0.51) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10910008 0.98 CYP2C9 (0.51) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10909996 0.98 CYP2C9 (0.51) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10911739 0.96 ALDH1A1 (0.52) CYP2C9LMNACYP1A2TSHRCYP2C19
SCHEMBL10911751 0.96 ALDH1A1 (0.52) CYP2C9LMNACYP1A2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 US disclosed