SCHEMBL9007187

SCHEMBL9007187

CC(C)(C)c1cc(O)c(Cc2ccccc2)c(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TNFRSF1A P19438 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ATP2A2 P16615 1/20 0.38

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
SCHEMBL23581069 0.86 MEN1 (0.41) BCL2BCL2L1GAAMEN1KMT2A
SCHEMBL11139218 0.82 GAA (0.47) BCL2BCL2L1GAAMEN1KMT2A
SCHEMBL11683328 0.81 ALDH1A1 (0.41) BCL2BCL2L1GAAMEN1KMT2A
SCHEMBL29059479 0.76 ALDH1A1 (0.46) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL1187217 0.76 MEN1 (0.57) BCL2BCL2L1GAAMEN1KMT2A
SCHEMBL11681295 0.76 TSHR (0.46) BCL2BCL2L1GAAMEN1KMT2A
SCHEMBL29000698 0.75 CYP2C19 (0.52) BCL2BCL2L1GAAMEN1KMT2A
SCHEMBL11681489 0.75 CA2 (0.47) BCL2BCL2L1GAAMEN1KMT2A
SCHEMBL11685439 0.75 ALDH1A1 (0.42) BCL2BCL2L1GAAMEN1KMT2A
SCHEMBL27852489 0.74 BCL2 (0.56) BCL2BCL2L1MEN1KMT2ACYP3A4

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
CN-107519158-A Oral care method and external member 3M创新有限公司 2017-12-29 — — CN disclosed
EP-0546830-B1 Lubricating oil containing an antiwear antioxidant and frictionreducing additive EXXON RESEARCH ENGINEERING CO (US) 1996-10-23 — — EP disclosed
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