SCHEMBL9418499

SCHEMBL9418499

C[C@@H]1CC[C@@H]2CCCCC2(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.40
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B3 P37058 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
SCHEMBL9418494 1.00 CYP19A1 (0.40) CYP19A1CA1CA2CA4LMNA
SCHEMBL4166949 0.92 KMT2A (0.41) CYP19A1CA1CA2CA4LMNA
SCHEMBL3682541 0.74 CYP19A1 (0.35) CYP19A1LMNATSHRKMT2AMEN1
SCHEMBL13261222 0.72 CYP19A1 (0.53) CYP19A1LMNATSHRHSD17B3
SCHEMBL103226 0.72 CYP19A1 (0.53) CYP19A1LMNATSHRHSD17B3
SCHEMBL178322 0.72 CYP19A1 (0.53) CYP19A1LMNATSHRHSD17B3
SCHEMBL10646120 0.72 CYP19A1 (0.43) CYP19A1LMNATSHRKDM4E
SCHEMBL3146702 0.72 PIK3CA (0.42) CYP19A1CA1CA2CA4TSHR
SCHEMBL2690489 0.71 CA1 (0.43) CYP19A1CA1CA2CA4KMT2A
SCHEMBL15308966 0.71 LMNA (0.38) CYP19A1LMNATSHRKMT2AMEN1

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-0360127-B1 Oxygenated bicyclic derivatives and their use as perfuming ingredients FIRMENICH & CIE (CH) 1994-12-07 EP claimed
EP-0360127-A2 Oxygenated bicyclic derivatives and their use as perfuming ingredients FIRMENICH SA (CH) 1990-03-28 EP claimed
EP-0360127-B1 Oxygenated bicyclic derivatives and their use as perfuming ingredients FIRMENICH & CIE (CH) 1994-12-07 EP disclosed