SCHEMBL15970640

SCHEMBL15970640

CC(=Cc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.72
ALDH1A1 P00352 2/20 0.72
NPC1 O15118 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
POLB P06746 1/20 0.65
LMNA P02545 2/20 0.61
PLIN1 O60240 1/20 0.61
PLIN5 Q00G26 1/20 0.61
ABHD5 Q8WTS1 1/20 0.61
CYP2C9 P11712 1/20 0.55
AKR1C3 P42330 1/20 0.55
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
ERAP1 Q9NZ08 1/20 0.52
DHODH Q02127 1/20 0.51

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
SCHEMBL15970636 1.00 RAB9A (0.72) RAB9AALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL10186363 0.84 MEN1 (0.67) RAB9AALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL974305 0.83 RAB9A (0.67) RAB9AALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL974306 0.83 RAB9A (0.67) RAB9AALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL28740913 0.81 RAB9A (0.65) RAB9AALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL5175039 0.81 ALDH1A1 (0.70) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL7747924 0.80 RAB9A (0.63) RAB9AALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL7747926 0.80 RAB9A (0.63) RAB9AALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL5175038 0.79 CYP2C9 (0.58) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL5175034 0.79 CYP2C9 (0.58) RAB9AALDH1A1NPC1SMN1; SMN2LMNA

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
WO-2014129874-A1 PIPER AMIDE-BASED COMPOUND AS BOMBESIN RECEPTOR SUBTYPE 3 서울대학교산학협력단 (KR) 2014-08-28 WO disclosed