SCHEMBL7900560

SCHEMBL7900560

CCCc1ccc(OC(=O)[C@]2(CCC)CC[C@H](C3CCCCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
THRB P10828 3/20 0.43
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL7900571 0.93 KMT2A (0.42) KMT2AMEN1THRBPLA2G1BATG4B
SCHEMBL7907310 0.92 THRB (0.46) KMT2AMEN1THRBCYP1A2CYP3A4
SCHEMBL7900609 0.87 THRB (0.46) KMT2AMEN1THRBCYP1A2CYP3A4
SCHEMBL7907462 0.87 HTR2A (0.38) KMT2AMEN1HPGDLMNAEPHX2
SCHEMBL8413818 0.81 KMT2A (0.42) KMT2AMEN1THRBPLA2G1BATG4B
SCHEMBL7910515 0.79 FAAH (0.39) KMT2AMEN1MAPTLMNAEPHX2
SCHEMBL8413150 0.77 KMT2A (0.41) KMT2AMEN1THRBPLA2G1BATG4B
SCHEMBL7908374 0.74 HPGD (0.37) HPGDMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL8413623 0.74 THRB (0.44) KMT2AMEN1THRBCYP1A2CYP3A4
SCHEMBL23496620 0.73 THRB (0.52) KMT2AMEN1THRBCYP3A4MAPT

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
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed