SCHEMBL6547355

SCHEMBL6547355

CCCC(Cc1cccc(C)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
TAAR1 Q96RJ0 2/20 0.43
CTSB P07858 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
MAPT P10636 1/20 0.41
ALPG P10696 1/20 0.41
HTT P42858 1/20 0.41
ACP3 P15309 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 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
SCHEMBL6548160 0.87 ACP3 (0.46) ESR1ESR2TAAR1CTSBCTSL
SCHEMBL8100227 0.84 ESR1 (0.61) ESR1ESR2TAAR1KMT2AALDH1A1
SCHEMBL9856702 0.83 TAAR1 (0.49) TAAR1CTSBCTSLCTSSKMT2A
SCHEMBL9856887 0.83 HTR2A (0.49) TAAR1CTSBCTSLCTSSKMT2A
SCHEMBL6546410 0.81 ESR1 (0.59) ESR1ESR2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8860484 0.80 CTSB (0.39) TAAR1CTSBKMT2ASMN1; SMN2ALPL
SCHEMBL18761027 0.76 TAAR1 (0.44) TAAR1CTSBKMT2AMAPTALDH1A1
Fumaric Acid SCHEMBL9856436 0.75 NOS2 (0.45) TAAR1CTSBCTSLCTSSKMT2A
Fumaric Acid SCHEMBL9856450 0.75 NOS2 (0.45) TAAR1CTSBCTSLCTSSKMT2A
SCHEMBL5501531 0.75 TAAR1 (0.46) TAAR1CTSBCTSLCTSSKMT2A

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