SCHEMBL7940809

SCHEMBL7940809

CCC(c1ccccc1)C1CCCN(C(=O)C(=O)C2CCCCC2)C1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.44
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5965964 0.84 FKBP1A (0.39) FKBP1A
SCHEMBL5966154 0.83 FKBP1A (0.45) FKBP1A
SCHEMBL7939535 0.78 FKBP1A (0.36) FKBP1ASMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL5966105 0.77 FKBP1A (0.39) FKBP1ALMNA
SCHEMBL5700583 0.74 FKBP1A (0.53) FKBP1A
SCHEMBL7940812 0.70 FKBP1A (0.60) FKBP1AKMT2AALDH1A1NPC1RAB9A
SCHEMBL28299649 0.70 CYP3A4 (0.44) LMNA
SCHEMBL5966221 0.65 FKBP1A (0.36) FKBP1AKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL3397276 0.64 FKBP1A (0.51) FKBP1A
SCHEMBL5834349 0.64 FKBP1A (0.51) FKBP1A

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-0777478-B1 INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-07 EP claimed