SCHEMBL6546767

SCHEMBL6546767

C=C(Cc1ccccc1C)c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
HPGD P15428 4/20 0.51
TAAR1 Q96RJ0 1/20 0.45
CTBP2 P56545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
SHBG P04278 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 1/20 0.40
SLC16A3 O15427 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 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
SCHEMBL19480022 0.85 TAAR1 (0.48) MAOAMAOBHPGDTAAR1CTBP2
SCHEMBL28804356 0.80 HPGD (0.47) MAOAMAOBHPGDTAAR1CTBP2
SCHEMBL5008868 0.79 HPGD (0.50) MAOAMAOBHPGDTAAR1CTBP2
SCHEMBL2313481 0.77 MAOA (0.58) MAOAMAOBHPGDKMT2ASMN1; SMN2
SCHEMBL9255791 0.77 MAOA (0.58) MAOAMAOBHPGDKMT2ASMN1; SMN2
SCHEMBL18543737 0.77 CTBP2 (0.47) MAOBHPGDTAAR1CTBP2MEN1
SCHEMBL7042925 0.76 MEN1 (0.63) HPGDCTBP2MEN1KMT2AMAPT
SCHEMBL10899148 0.75 MAOA (0.56) MAOAMAOBHPGDMEN1KMT2A
SCHEMBL7197694 0.73 MAOA (0.55) MAOAMAOBHPGDKMT2ASMN1; SMN2
SCHEMBL15966565 0.73 MAOA (0.59) MAOAMAOBHPGDTAAR1KMT2A

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