SCHEMBL10468974

SCHEMBL10468974

CC(C)(C)c1cc(C(=O)c2ccc[nH]2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.55
▸ PTGS1 P23219 2/20 0.55
▸ PTGS2 P35354 2/20 0.55
▸ TNFRSF1A P19438 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ CA2 P00918 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CA1 P00915 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9135750 0.78 PTGS2 (0.63) ALOX5PTGS1PTGS2TNFRSF1ALMNA
SCHEMBL8495448 0.77 ALOX5 (0.65) ALOX5PTGS1PTGS2TNFRSF1ALMNA
SCHEMBL3950986 0.77 SRD5A2 (0.55) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL3173816 0.76 ATM (0.47) GAACA2SMN1; SMN2CA1MEN1
SCHEMBL3894279 0.76 ALOX5 (0.46) ALOX5PTGS1PTGS2TNFRSF1ALMNA
SCHEMBL17935274 0.76 GAA (0.51) LMNAGAASMN1; SMN2NPSR1MEN1
SCHEMBL784936 0.75 ALOX5 (0.58) ALOX5PTGS1PTGS2TNFRSF1ALMNA
SCHEMBL13328057 0.75 TPMT (0.47) LMNASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8461116 0.73 SRD5A2 (0.59) ALOX5PTGS1PTGS2TNFRSF1ALMNA
SCHEMBL13057529 0.73 ALDH1A1 (0.57) ALOX5PTGS1PTGS2TNFRSF1ALMNA

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-4935440-A ANALGESICS, ANTIPYRETICS SYNTEX (U.S.A.) INC. (US) 1990-06-19 — — US disclosed
US-4833155-A SKIN DISORDERS SYNTEX (U.S.A.) INC. (US) 1989-05-23 — — US disclosed
EP-0269981-A1 3-[alpha-(3,5-di-t-butyl-4-hydroxyphenyl)-alkanoyl]pyrroles, their de-oxy analogs, and therapeutic uses thereof SYNTEX (U.S.A.) INC. (US) 1988-06-08 — — EP disclosed
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