SCHEMBL7340472

SCHEMBL7340472

CCCCCCCC(=O)Nc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
CNR1 P21554 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48

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
SCHEMBL7335188 1.00 THRA (0.53) THRATHRBCNR1SMN1; SMN2NPC1
SCHEMBL7337841 0.99 THRA (0.54) THRATHRBCNR1SMN1; SMN2NPC1
SCHEMBL7337979 0.95 ALDH1A1 (0.54) THRATHRBSMN1; SMN2NPC1LMNA
SCHEMBL7337493 0.90 KMT2A (0.52) THRBSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL7328819 0.85 KMT2A (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11330880 0.82 POLB (0.51) THRATHRBCNR1SMN1; SMN2ALDH1A1
SCHEMBL7336971 0.82 EPHX1 (0.56) LMNAALDH1A1HTTEPHX2
SCHEMBL8991894 0.81 ALDH1A1 (0.57) THRBSMN1; SMN2NPC1LMNARAB9A
SCHEMBL7333599 0.81 HDAC1 (0.53) CNR1SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL7333819 0.81 RAB9A (0.67) THRBSMN1; SMN2NPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475531-B1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same ASAHI CHEMICAL IND (JP) 1995-01-18 EP disclosed
EP-0475531-A1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-18 EP disclosed