SCHEMBL28405533

SCHEMBL28405533

CCCCCCCCc1c(C(C)(C)C)ccc(C(C)(C)C)c1OP(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.35
▸ ESR1 P03372 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HSPE1 P61604 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL31601473 0.82 ALOX5 (0.34) ALOX5ESR1ADRA2AADORA3TACR2
SCHEMBL2532156 0.79 ALOX5 (0.36) ALOX5ESR1ADRA2AADORA3TACR2
SCHEMBL10882358 0.76 ALOX5 (0.33) ALOX5ALDH1A1HIF1ATYR
SCHEMBL8891283 0.74 TYR (0.49) ALOX5ESR1ADRA2AADORA3TACR2
SCHEMBL11660171 0.74 TYR (0.49) ALOX5ESR1ADRA2AADORA3TACR2
SCHEMBL28411368 0.74 TYR (0.45) ALOX5ESR1ADRA2AADORA3TACR2
SCHEMBL11202288 0.74 TYR (0.49) ALOX5ESR1ADRA2AADORA3TACR2
SCHEMBL28898243 0.72 ALOX5 (0.38) ALOX5ALDH1A1TP53CYP3A4PTGS2
SCHEMBL22284270 0.71 NPSR1 (0.37) KDM4EPTGS2HPGD
SCHEMBL688489 0.71 TYR (0.45) ALOX5ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057358-A High-heat-resistance impact-resistance polycarbonate composition and preparation method thereof 宁波多普达聚合物有限公司 2020-04-24 — — CN disclosed
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