SCHEMBL28836993

SCHEMBL28836993

CC(=O)Sc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.60
STS P08842 3/20 0.58
HSD17B1 P14061 11/20 0.49
ESR1 P03372 4/20 0.49
CYP19A1 P11511 7/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
G6PD P11413 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
DAB2IP Q5VWQ8 1/20 0.47
ESR2 Q92731 1/20 0.47
ADCY10 Q96PN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL14252890 0.87 STS (0.68) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL4825753 0.87 STS (0.68) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL5143409 0.84 SHBG (0.74) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL4826003 0.84 SHBG (0.61) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL4083803 0.81 SHBG (0.70) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL10054959 0.81 SHBG (0.70) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL4075005 0.80 HSD17B1 (0.69) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL10439769 0.80 HSD17B1 (0.70) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL4082465 0.80 SHBG (0.68) SHBGSTSHSD17B1ESR1CYP19A1
SCHEMBL3972911 0.79 CYP19A1 (0.69) SHBGSTSHSD17B1ESR1CYP19A1

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
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 CN disclosed