SCHEMBL7974252

SCHEMBL7974252

CCCCCC1CCC(C)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
Cyanide SCHEMBL28149772 0.95 EPHX1 (0.32) EPHX1
SCHEMBL1155362 0.94 CYP1A2 (0.34)
SCHEMBL11033685 0.81 ALDH1A1 (0.41) EPHX1ALDH1A1
Ammonia Solution, Strong SCHEMBL22283017 0.79 ALDH1A1 (0.39) EPHX1ALDH1A1
SCHEMBL27686633 0.77
SCHEMBL27842330 0.74
Ammonia Solution, Strong SCHEMBL8882238 0.72 EPHX1 (0.41) EPHX1ALDH1A1
Water SCHEMBL10626597 0.72 CYP1A2 (0.37) ALDH1A1
SCHEMBL22471680 0.67 ALDH1A1 (0.41) EPHX1ALDH1A1
SCHEMBL17351132 0.67 ALDH1A1 (0.41) EPHX1ALDH1A1

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-6242393-B1 NAPHTHENIC HYDROCARBONS, CARBOXYLATES OR CARBONATES FOR TRACTION NIPPON MITSUBISHI OIL CORPORATION (JP) 2001-06-05 US disclosed
EP-0949319-A2 Traction drive fluid Nippon Mitsubishi Oil Corporation (JP) 1999-10-13 EP disclosed