SCHEMBL16253602

SCHEMBL16253602

C=C=Cc1cccc(C(C)(C)C)c1OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.36
▸ CA2 P00918 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ TNFRSF1A P19438 1/20 0.32
▸ NFE2L2 Q16236 5/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18651761 0.89 CA1 (0.33) CA2CA1NFE2L2
SCHEMBL16253603 0.83 NFE2L2 (0.34) CA2CA1NFE2L2ALDH1A1
SCHEMBL16253609 0.83 CA1 (0.32) CA2CA1NFE2L2
SCHEMBL15002486 0.81 ALOX12 (0.39) ALOX12CA2CA1NR1H4TNFRSF1A
SCHEMBL2489642 0.77 CA2 (0.58) ALOX12CA2CA1NR1H4TNFRSF1A
SCHEMBL16952588 0.77 ALOX12 (0.42) ALOX12CA2CA1NR1H4TNFRSF1A
SCHEMBL16253606 0.77 CA1 (0.37) CA2CA1NFE2L2ALDH1A1
SCHEMBL16253607 0.76 RIPK1 (0.34) CA2CA1NFE2L2ALDH1A1
SCHEMBL14999524 0.76 NFE2L2 (0.40) ALOX12CA2CA1NR1H4TNFRSF1A
SCHEMBL14999413 0.75 RARG (0.37) CA2CA1TNFRSF1AALDH1A1

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-20170080409-A1 CATALYSTS FOR EPOXIDE CARBONYLATION NOVOMER, INC. (US) 2017-03-23 — — US disclosed
US-9359474-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2016-06-07 — — US disclosed
US-20140343246-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-20 — — US disclosed
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