SCHEMBL10898519

SCHEMBL10898519

CC(CCCC(C)(C)C)c1cc(O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
TYR P14679 4/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RIPK1 Q13546 1/20 0.36
TSHR P16473 1/20 0.34
ESR1 P03372 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL28568378 0.92 RORC (0.47) RORCTYRALDH1A1ALOX15NR1I2
SCHEMBL10532360 0.83 RORC (0.45) RORCTYRALDH1A1ALOX15NR1I2
SCHEMBL8861378 0.81 TYR (0.45) RORCTYRALDH1A1ALOX15LMNA
SCHEMBL11647604 0.80 TYR (0.47) RORCTYRALDH1A1ALOX15LMNA
SCHEMBL4354699 0.80 TYR (0.47) RORCTYRALDH1A1ALOX15LMNA
SCHEMBL419569 0.80 TYR (0.47) RORCTYRALDH1A1ALOX15LMNA
SCHEMBL11095669 0.80 TYR (0.47) RORCTYRALDH1A1ALOX15LMNA
SCHEMBL8639228 0.80 TYR (0.47) RORCTYRALDH1A1ALOX15LMNA
SCHEMBL11804812 0.80 TYR (0.47) RORCTYRALDH1A1ALOX15LMNA
SCHEMBL7552547 0.80 TYR (0.47) RORCTYRALDH1A1ALOX15LMNA

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
US-4447593-A HIGH STRENGTH; MELT-SHAPEABLE; TEIJIN LIMITED (JP) 1984-05-08 US claimed
EP-0072540-B1 MELT-ANISOTROPIC WHOLLY AROMATIC POLYESTER, PROCESS FOR PRODUCTION THEREOF, AND FIBERS OR FILMS THEREOF TEIJIN LIMITED (JP) 1986-04-23 EP disclosed
US-4447593-A HIGH STRENGTH; MELT-SHAPEABLE; TEIJIN LIMITED (JP) 1984-05-08 US disclosed
EP-0072540-A2 Melt-anisotropic wholly aromatic polyester, process for production thereof, and fibers or films thereof TEIJIN LIMITED (JP) 1983-02-23 EP disclosed