SCHEMBL7183649

SCHEMBL7183649

CC(C)(C)CC(C)(OC(C)(CC(C)(C)C)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
TAAR1 Q96RJ0 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC6A2 P23975 1/20 0.37
POLB P06746 1/20 0.36
KCNN4 O15554 3/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
SHBG P04278 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL22351 0.86 MAPK1 (0.50) MAPK1TAAR1ALDH1A1ALOX15CYP2C19
SCHEMBL1421191 0.83 ALDH1A1 (0.54) MAPK1TAAR1ALDH1A1ALOX15CYP2C19
SCHEMBL7628903 0.81 MAPK1 (0.45) MAPK1TAAR1ALDH1A1ALOX15CYP2C19
SCHEMBL128131 0.79 MAPK1 (0.65) MAPK1TAAR1ALDH1A1ALOX15CYP2C19
SCHEMBL7448596 0.79 MAPK1 (0.46) MAPK1TAAR1ALDH1A1ALOX15CYP2C19
SCHEMBL3688349 0.77 ALDH1A1 (0.47) MAPK1TAAR1ALDH1A1ALOX15CYP2C19
Hexane SCHEMBL8712556 0.75 ALDH1A1 (0.46) MAPK1TAAR1ALDH1A1ALOX15CYP2C19
SCHEMBL7606018 0.75 MAPK1 (0.59) MAPK1TAAR1ALDH1A1ALOX15CYP2C19
SCHEMBL21681665 0.74 MAPK1 (0.41) MAPK1TAAR1ALDH1A1ALOX15KCNN4
SCHEMBL42933 0.73 SHBG (0.60) MAPK1TAAR1ALDH1A1ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642315-B2 For use for a tire tread having a superior wet grip and abrasion resistance THE YOKOHAMA RUBBER CO., LTD. (JP) 2003-11-04 US disclosed
US-20030055169-A1 Rubber composition and crosslinked rubber YOKOHAMA RUBBER CO., LTD., THE (JP) 2003-03-20 US disclosed
EP-1245630-A1 RUBBER COMPOSITION AND CROSSLINKED RUBBER THE YOKOHAMA RUBBER CO., LTD. (JP) 2002-10-02 EP disclosed