SCHEMBL8937916

SCHEMBL8937916

C[C@]12C[C@H](CCl)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.67
AKR1C3 P42330 2/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP19A1 P11511 6/20 0.64
HSD17B1 P14061 5/20 0.64
ESR1 P03372 5/20 0.64
ESR2 Q92731 5/20 0.64
STS P08842 2/20 0.64
AKR1B10 O60218 1/20 0.64
LMNA P02545 1/20 0.64
SHBG P04278 1/20 0.64
CYP1A2 P05177 1/20 0.64
PGR P06401 1/20 0.64
SERPINA6 P08185 1/20 0.64
CYP3A4 P08684 1/20 0.64
AR P10275 1/20 0.64
MAPT P10636 1/20 0.64
AKR1B1 P15121 1/20 0.64
NFKB1 P19838 1/20 0.64

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
SCHEMBL5502437 0.91 HSD17B10 (0.67) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL6139792 0.91 HSD17B10 (0.67) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL14048588 0.91 HSD17B10 (0.67) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL6308759 0.89 HSD17B10 (0.59) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL11882861 0.89 HSD17B10 (0.66) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL17200068 0.89 HSD17B10 (0.66) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL13863744 0.86 AKR1C3 (0.60) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL15971654 0.85 MEN1 (0.74) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL13930476 0.85 HSD17B10 (0.70) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL14569770 0.85 HSD17B10 (0.70) HSD17B10AKR1C3TSHRMAPK1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554602-A STEROIDS LAREGION WALLONE (BE) 1996-09-10 US disclosed
EP-0565449-A1 Rhenium and Technetium labelling of hormones LA REGION WALLONNE (BE) 1993-10-13 EP disclosed