SCHEMBL11096137

SCHEMBL11096137

COc1cc(C)c2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.67
LMNA P02545 6/20 0.67
CYP19A1 P11511 2/20 0.57
MAPT P10636 4/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP1B1 Q16678 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP1A1 P04798 2/20 0.57
GAA P10253 2/20 0.57
SHBG P04278 2/20 0.57
BLM P54132 2/20 0.57
PMP22 Q01453 2/20 0.57
TP53 P04637 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
GMNN O75496 1/20 0.57

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
SCHEMBL10795475 0.90 HSD17B10 (0.69) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL11875499 0.89 HSD17B10 (0.67) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL11577800 0.89 HSD17B10 (0.67) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL10794411 0.88 HSD17B10 (0.66) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL7885569 0.86 LMNA (0.64) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL3868012 0.85 ESR1 (0.67) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL11097284 0.85 ESR1 (0.67) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL548134 0.85 ESR1 (0.67) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL11577051 0.83 LMNA (0.64) HSD17B10LMNACYP19A1MAPTCYP1A2
SCHEMBL8621058 0.82 ESR1 (0.74) HSD17B10LMNACYP19A1MAPTCYP1A2

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
EP-0044105-B1 NEW 8-ALPHA-OESTRA-1,3,5(10)-TRIENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AKZO N.V. (NL) 1984-10-03 EP disclosed