SCHEMBL5143409

SCHEMBL5143409

C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)c(O)cc3[C@H]1CC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.74
ESR1 P03372 3/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
G6PD P11413 1/20 0.63
PKM P14618 1/20 0.63
MAPK1 P28482 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
DAB2IP Q5VWQ8 1/20 0.63
ESR2 Q92731 1/20 0.63
ADCY10 Q96PN6 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
STS P08842 3/20 0.60
HSD17B1 P14061 8/20 0.56
CYP19A1 P11511 9/20 0.53

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
SCHEMBL10054959 0.91 SHBG (0.70) SHBGESR1KDM4EMEN1LMNA
SCHEMBL4083803 0.91 SHBG (0.70) SHBGESR1KDM4EMEN1LMNA
SCHEMBL10439769 0.90 HSD17B1 (0.70) SHBGESR1KDM4EMEN1LMNA
SCHEMBL4082465 0.90 SHBG (0.68) SHBGESR1KDM4EMEN1LMNA
SCHEMBL4078960 0.88 SHBG (0.65) SHBGESR1KDM4EMEN1LMNA
SCHEMBL14252885 0.88 ESR1 (0.71) SHBGESR1MEN1LMNAGAA
SCHEMBL6409438 0.88 SHBG (0.65) SHBGESR1KDM4EMEN1LMNA
SCHEMBL4075005 0.88 HSD17B1 (0.69) SHBGESR1KDM4EMEN1LMNA
SCHEMBL4825753 0.88 STS (0.68) SHBGESR1KDM4EMEN1LMNA
SCHEMBL7064718 0.88 SHBG (0.65) SHBGESR1KDM4EMEN1LMNA

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-1773754-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER Massachussets Institute of Technology (US) 2007-04-18 EP claimed
WO-2005086974-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-22 WO claimed
EP-0138504-B1 STEROID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-20 EP disclosed