SCHEMBL3974913

SCHEMBL3974913

CCCCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.60
HSD17B1 P14061 7/20 0.60
ESR1 P03372 4/20 0.59
ESR2 Q92731 4/20 0.59
STS P08842 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
G6PD P11413 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
DAB2IP Q5VWQ8 1/20 0.49
ADCY10 Q96PN6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP19A1 P11511 1/20 0.48

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
SCHEMBL7064718 0.89 SHBG (0.65) SHBGHSD17B1ESR1ESR2STS
SCHEMBL4075005 0.89 HSD17B1 (0.69) SHBGHSD17B1ESR1ESR2STS
SCHEMBL5143409 0.84 SHBG (0.74) SHBGHSD17B1ESR1ESR2STS
SCHEMBL9242671 0.83 SHBG (0.60) SHBGHSD17B1ESR1ESR2STS
SCHEMBL3974231 0.81 SHBG (0.57) SHBGHSD17B1ESR1STSMEN1
SCHEMBL4083803 0.81 SHBG (0.70) SHBGHSD17B1ESR1ESR2STS
SCHEMBL10054959 0.81 SHBG (0.70) SHBGHSD17B1ESR1ESR2STS
SCHEMBL4082465 0.80 SHBG (0.68) SHBGHSD17B1ESR1ESR2STS
SCHEMBL10439769 0.80 HSD17B1 (0.70) SHBGHSD17B1ESR1ESR2STS
SCHEMBL4826003 0.80 SHBG (0.61) SHBGHSD17B1ESR1ESR2STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773349-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDRENS MEDICAL CENTER (US) 2009-07-29 EP disclosed
EP-1773349-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-04-18 EP disclosed
WO-2005110462-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2005-11-24 WO disclosed