SCHEMBL21964488

SCHEMBL21964488

FC1(F)CCC(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
FDFT1 P37268 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAOB P27338 7/20 0.46
MAOA P21397 4/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL10272647 0.86 MRGPRX4 (0.64) MRGPRX4FDFT1LMNACYP1A2PTGS1
SCHEMBL17468456 0.85 TP53 (0.52) MRGPRX4FDFT1LMNACYP1A2PTGS1
SCHEMBL11047683 0.82 GRIN1 (0.50) MRGPRX4FDFT1LMNACYP1A2PTGS1
SCHEMBL5249481 0.81 HRH3 (0.60) MRGPRX4FDFT1LMNACYP1A2PTGS1
SCHEMBL16969436 0.81 ESR2 (0.57) MRGPRX4FDFT1LMNACYP1A2PTGS1
SCHEMBL28601145 0.79 LMNA (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL12523729 0.79 MRGPRX4 (0.57) MRGPRX4FDFT1LMNACYP1A2PTGS1
SCHEMBL12525375 0.79 MRGPRX4 (0.57) MRGPRX4FDFT1LMNACYP1A2PTGS1
SCHEMBL20930997 0.79 MAOB (0.62) MRGPRX4LMNACYP1A2PTGS1SLC6A2
SCHEMBL7369689 0.79 MRGPRX4 (0.60) MRGPRX4FDFT1LMNACYP1A2PTGS1

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
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed