SCHEMBL11577800

SCHEMBL11577800

COc1cc2c(c(OC)c1)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.67
LMNA P02545 6/20 0.67
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 3/20 0.63
CYP1B1 Q16678 3/20 0.63
MEN1 O00255 3/20 0.63
MAPT P10636 3/20 0.63
KMT2A Q03164 3/20 0.63
TSHR P16473 3/20 0.63
CYP19A1 P11511 3/20 0.63
CYP1A1 P04798 2/20 0.63
GAA P10253 2/20 0.63
CYP2C19 P33261 2/20 0.63
SHBG P04278 2/20 0.63
BLM P54132 2/20 0.63
PMP22 Q01453 2/20 0.63
TP53 P04637 1/20 0.63
NFKB1 P19838 1/20 0.63
THPO P40225 1/20 0.63
GMNN O75496 1/20 0.63

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
SCHEMBL11875499 1.00 HSD17B10 (0.67) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL11577614 0.91 HSD17B10 (0.59) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL10795475 0.90 HSD17B10 (0.69) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL11577051 0.90 LMNA (0.64) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL547773 0.89 HSD17B10 (0.66) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL8459399 0.89 HSD17B10 (0.66) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL11096137 0.89 HSD17B10 (0.67) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL10794411 0.88 HSD17B10 (0.66) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL11578064 0.87 LMNA (0.57) HSD17B10LMNACYP1A2CYP3A4CYP1B1
SCHEMBL7885569 0.86 LMNA (0.64) HSD17B10LMNACYP1A2CYP3A4CYP1B1

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-4096253-A 1-Oxygenated steroids ORTHO PHARMACEUTICAL CORPORATION (US) 1978-06-20 US disclosed