SCHEMBL11234684

SCHEMBL11234684

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2C(OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.51
MAPT P10636 6/20 0.51
KMT2A Q03164 6/20 0.51
CYP3A4 P08684 6/20 0.51
ESR1 P03372 6/20 0.51
MEN1 O00255 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 3/20 0.51
PGR P06401 3/20 0.51
AR P10275 3/20 0.51
ALOX15 P16050 3/20 0.51
ADORA3 P0DMS8 2/20 0.51
PTGS1 P23219 2/20 0.51
PDE3A Q14432 2/20 0.51
POLB P06746 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
ATM Q13315 1/20 0.51
USP2 O75604 1/20 0.51
HIF1A Q16665 2/20 0.49

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
SCHEMBL9319671 1.00 LMNA (0.51) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL11247578 0.91 RECQL (0.54) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL11234223 0.91 RECQL (0.54) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL11239668 0.91 KMT2A (0.53) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL11236592 0.91 KMT2A (0.53) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL11298268 0.90 ZAP70 (0.49) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL9319675 0.89 LMNA (0.56) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL8835854 0.89 LMNA (0.56) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL8836335 0.84 LMNA (0.58) LMNAMAPTKMT2ACYP3A4ESR1
SCHEMBL10406599 0.82 LMNA (0.63) LMNAMAPTKMT2ACYP3A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55089299-A None JP disclosed
US-4332797-A ANTITUMOR AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-06-01 US disclosed
US-4261910-A COUPLING WITH ESTRADIOL THROUGH DIFUNCTIONAL COMPOUND KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-04-14 US disclosed
JP-S5589299-A NOVEL ESTRADIOL DERIVATIVE, ITS PREPARATION, AND ANTITUMOR AGENT KUREHA CHEM IND CO LTD 1980-07-05 JP disclosed