SCHEMBL10405243

SCHEMBL10405243

C=CC1(O)CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
ATP1A1 P05023 1/20 0.44
ATP1B1 P05026 1/20 0.44
ATP1A3 P13637 1/20 0.44
ATP1B2 P14415 1/20 0.44
ATP1A2 P50993 1/20 0.44
ATP1B3 P54709 1/20 0.44
FXYD2 P54710 1/20 0.44
ATP1A4 Q13733 1/20 0.44
SHBG P04278 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
EFNA1 P20827 1/20 0.42
EPHA2 P29317 1/20 0.42
PSEN1 P49768 1/20 0.42

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
SCHEMBL31164338 1.00 CYP19A1 (0.48) CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL10405242 1.00 CYP19A1 (0.48) CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL27559513 0.86 CYP19A1 (0.51) CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL10404371 0.86 CYP19A1 (0.51) CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL4996284 0.86 CYP19A1 (0.51) CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL4996289 0.86 CYP19A1 (0.51) CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL9157639 0.83 GABRA1 (0.53) SHBGMEN1KMT2A
SCHEMBL9157631 0.83 GABRA1 (0.53) SHBGMEN1KMT2A
SCHEMBL14154560 0.82 SERPINA6 (0.62) SHBGLMNAHSD17B10GPBAR1SERPINA6
SCHEMBL9160261 0.82 SERPINA6 (0.62) SHBGLMNAHSD17B10GPBAR1SERPINA6

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-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 US disclosed