Ethane

Ethane

SCHEMBL27670651

CC.COc1ccc(-c2cc(OC)cc(OC)c2)cc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.76
▸ ABCB1 P08183 6/20 0.76
▸ BCR P11274 6/20 0.76
▸ NPC1 O15118 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CASP3 P42574 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ SENP8 Q96LD8 1/20 0.61
▸ SENP7 Q9BQF6 1/20 0.61
▸ SENP6 Q9GZR1 1/20 0.61
▸ CYP1A1 P04798 4/20 0.60
▸ CYP1B1 Q16678 4/20 0.60
▸ CYP1A2 P05177 3/20 0.60
▸ CYP2E1 P05181 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C8 P10632 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ CYP2A6 P11509 2/20 0.60

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
SCHEMBL2274524 0.97 ABL1 (0.79) ABL1ABCB1BCRNPC1TP53
Water SCHEMBL27689515 0.95 ABL1 (0.76) ABL1ABCB1BCRNPC1TP53
Ethylene SCHEMBL27567218 0.93 ABL1 (0.73) ABL1ABCB1BCRNPC1TP53
SCHEMBL9618304 0.88 ABL1 (0.67) ABL1ABCB1BCRNPC1TP53
SCHEMBL920933 0.87 ABL1 (0.71) ABL1ABCB1BCRNPC1TP53
SCHEMBL3743494 0.87 ABL1 (0.71) ABL1ABCB1BCRNPC1TP53
SCHEMBL9151672 0.84 CA1 (0.79) ABL1ABCB1BCRNPC1TP53
SCHEMBL6733562 0.84 CA1 (0.79) ABL1ABCB1BCRNPC1TP53
SCHEMBL197522 0.84 CA1 (0.79) ABL1ABCB1BCRNPC1TP53
SCHEMBL2954516 0.84 ALDH1A1 (0.79) ABL1ABCB1BCRCYP1A1CYP1B1

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
CN-100509729-C Method for synthesizing resveratrol BEIJING SECOND PHARMACEUTICAL (CN) 2009-07-08 — — CN disclosed
CN-1994991-A Method for synthesizing resveratrol BEIJING SECOND PHARMACEUTICAL (CN) 2007-07-11 — — CN disclosed
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