SCHEMBL3693248

SCHEMBL3693248

CCCCCCCCc1ccc(Cc2ccc(CCCCCCCC)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ TACR2 P21452 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SHBG P04278 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HSPD1 P10809 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HSPE1 P61604 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TST Q16762 1/20 0.44

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
SCHEMBL5492788 0.88 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL8975186 0.83 PPARA (0.45) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL9588955 0.82 GPR3 (0.42) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL29135490 0.81 SKP2 (0.42) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL107937 0.80 KAT8 (0.56) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL106675 0.80 KAT8 (0.56) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10067474 0.80 PPARA (0.56) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL109409 0.80 KAT8 (0.56) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL8975192 0.80 KAT8 (0.56) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL28387660 0.80 KAT8 (0.56) PTGS2ESR1ADRA2AADORA3TACR2

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-7683017-B2 Synergistic lubricating oil composition containing a mixture of a nitro-substituted diarylamine and a diarylamine CHEVRON ORONITE COMPANY LLC (US) 2010-03-23 — — US disclosed
US-20080318815-A1 SYNERGISTIC LUBRICATING OIL COMPOSITION CONTAINING A MIXTURE OF A NITRO-SUBSTITUTED DIARYLAMINE AND A DAIRYLAMINE CHEVRON ORONITE COMPANY LLC 2008-12-25 — — US disclosed
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