SCHEMBL27267523

SCHEMBL27267523

Cc1c(C(C)(C)C)cc(OP(O)O)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ ALOX15 P16050 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATP2A2 P16615 1/20 0.34
▸ ATP2A3 Q93084 1/20 0.34
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HPN P05981 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ ESRRA P11474 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL29163626 0.88 CA2 (0.41) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8829995 0.83 CA2 (0.61) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL28413644 0.78 CA2 (0.39) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL22284270 0.77 NPSR1 (0.37) CA2CA1ALOX15MAPTKDM4E
SCHEMBL28433547 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBTYRALOX15
SCHEMBL9241814 0.74 GABRA1 (0.46) CA2CA1ALDH1A1POLBTYR
SCHEMBL18715652 0.73 CA2 (0.64) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL13981778 0.72 HSPA5 (0.44) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL28128152 0.72 CA1 (0.57) CA2CA1ALDH1A1SMN1; SMN2ALOX15
SCHEMBL1664850 0.71 SMN1; SMN2 (0.50) CA2ALDH1A1SMN1; SMN2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290244-A Method for mixed butene continuous hydroformylation reaction 中国石油化工股份有限公司 2024-07-05 — — CN disclosed
CN-1029774-C Rhodium complex hydrogen formylation catalyst and precursor composition of catalyst UNION CARBIDE CHEM PLASTIC (US) 1995-09-20 — — CN disclosed
CN-1069208-A The precursor composition of rhodium complex hydroformylation catalysts and this catalyzer UNION CARBIDE CHEM PLASTIC (US) 1993-02-24 — — CN disclosed
CN-1019110-B TRANSITION METAL COMPLEX CATALYZE REACTION UNION CARBIDE CORP (US) 1992-11-18 — — CN disclosed
CN-85104683-A TRANSITION METAL COMPLEX CATALYZE REACTION — 1986-12-24 — — CN disclosed
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