SCHEMBL6547555

SCHEMBL6547555

C=C(Cc1ccccc1)c1ccc(C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP5 P45974 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6546541 0.93 RAB9A (0.49) CNR2RAB9ANPC1SMN1; SMN2USP5
SCHEMBL163962 0.80 MAOA (0.50) L3MBTL1MAPTTSHR
SCHEMBL10609924 0.79 MAOB (0.48) CNR2RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL28555686 0.79 KMT2A (0.50) CNR2RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL28552018 0.79 L3MBTL1 (0.61) CNR2RAB9ANPC1L3MBTL1MAPT
SCHEMBL6546328 0.78 TP53 (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14042627 0.77 FNTA (0.53) L3MBTL1HTTMAPT
SCHEMBL28910971 0.77 SRD5A2 (0.52) RAB9ASMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL28551034 0.76 L3MBTL1 (0.47) CNR2SMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL12722992 0.76 ALDH1A1 (0.50) CNR2RAB9ANPC1SMN1; SMN2L3MBTL1

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