SCHEMBL9629668

SCHEMBL9629668

CC1(C)CCc2ccc3c(c21)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CES1 P23141 5/20 0.34
PARP1 P09874 1/20 0.33
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LIMK1 P53667 1/20 0.32
KIF11 P52732 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL15818987 0.79 HTR2C (0.44)
SCHEMBL9629695 0.76 CES1 (0.38) BCL2L1BADNOS3NOS1NOS2
SCHEMBL9770710 0.73 KDM4E (0.36) ALDH1A1LIMK1
SCHEMBL25027774 0.71 CD44 (0.38) KDM1AALDH1A1LIMK1MEN1LMNA
SCHEMBL24701553 0.71 PARP1 (0.36) BCL2L1BADCES1PARP1KDM1A
SCHEMBL6835829 0.70 NOS3 (0.47) BCL2L1BADNOS3NOS1NOS2
SCHEMBL1278375 0.69 BCL2L1 (0.52) BCL2L1BADNOS3NOS1NOS2
SCHEMBL28804654 0.69 PARP1 (0.33) BCL2L1BADCES1PARP1
SCHEMBL28804717 0.69 ALDH1A1 (0.33) BCL2L1BADPARP1ALDH1A1MEN1
SCHEMBL28804771 0.69 PARP1 (0.33) BCL2L1BADPARP1

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
EP-0306529-B1 PERFUME COMPOSITION TAKASAGO PERFUMERY CO. LTD. (JP) 1992-05-27 EP disclosed
US-4885274-A ACYL-HEXAHYDRO-1H-CYCLOPENTA(A)NAPHTHALENE;MUSKS TAKASAGO PERFUMERY CO., LTD. (JP) 1989-12-05 US disclosed
EP-0306529-A1 PERFUME COMPOSITION TAKASAGO PERFUMERY CO. LTD. (JP) 1989-03-15 EP disclosed