SCHEMBL6546328

SCHEMBL6546328

C=C(Cc1ccccc1)c1ccc(CC)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
PLK1 P53350 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1B1 P15121 1/20 0.39
NPC1 O15118 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6546365 0.94 TP53 (0.50) TP53ALDH1A1SMN1; SMN2PLK1KDM4E
SCHEMBL6547496 0.85 THRB (0.46) ALDH1A1PLK1KDM4ERAB9APOLB
SCHEMBL6547240 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PLK1LMNARAB9A
SCHEMBL6546159 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PLK1LMNARAB9A
SCHEMBL163962 0.83 MAOA (0.50) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL28555686 0.82 KMT2A (0.50) ALDH1A1SMN1; SMN2LMNARAB9APOLB
SCHEMBL11282843 0.80 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL28910971 0.80 SRD5A2 (0.52) ALDH1A1SMN1; SMN2LMNARAB9ACES2
SCHEMBL14042627 0.80 FNTA (0.53) LMNACES2CES1AKR1B1MAPT
SCHEMBL6547309 0.79 THRB (0.43) ALDH1A1PLK1RAB9APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed