SCHEMBL7940393

SCHEMBL7940393

Cc1cc(C(C)(C)C)cc(C(C)CC(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RXRB P28702 4/20 0.38
RXRA P19793 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CD69 Q07108 2/20 0.37
RXRG P48443 2/20 0.36
ELANE P08246 1/20 0.35
RORC P51449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL7792669 0.86 CYP3A4 (0.54) ALDH1A1RXRBRXRACYP1A2CYP2C9
SCHEMBL7794800 0.84 ALDH1A1 (0.40) ALDH1A1RXRBRXRACYP1A2CYP2C9
SCHEMBL27468123 0.79 AKR1C3 (0.38) ALDH1A1RXRBRXRACYP1A2CYP2C9
SCHEMBL7792390 0.78 RORC (0.55) ALDH1A1CYP2C19RORCMEN1KMT2A
SCHEMBL7794952 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7794823 0.77 RXRA (0.41) RXRBRXRACYP1A2CYP2C9CYP2C19
SCHEMBL17500114 0.76 CA1 (0.46) CYP1A2CYP2C9CYP2C19
SCHEMBL6743688 0.75 CYP2C19 (0.58) ALDH1A1RXRBRXRACYP1A2CYP2C9
SCHEMBL5567888 0.74 CYP2C9 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL10503468 0.73 FFAR1 (0.45) CYP1A2CYP2C9CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed