SCHEMBL10643383

SCHEMBL10643383

COc1ccc(C=C(C)c2c(C)c(C)c3c(c2C)CCCC3(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.38
▸ RARB P10826 7/20 0.36
▸ RARG P13631 7/20 0.36
▸ RARA P10276 6/20 0.36
▸ RXRA P19793 3/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NQO2 P16083 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ BLM P54132 1/20 0.34

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
SCHEMBL10648465 0.74 RARB (0.39) TUBB1RARBRARGRARARXRA
SCHEMBL10648467 0.72 RXRA (0.55) TUBB1RARBRARGRARARXRA
SCHEMBL10733163 0.72 RXRA (0.55) TUBB1RARBRARGRARARXRA
SCHEMBL7225318 0.72 RARB (0.53) RARBRARGRARARXRARXRB
SCHEMBL10596854 0.68 CYP1A2 (0.37) RARBRARGRARARXRARXRB
SCHEMBL10773042 0.68 RARB (0.46) TUBB1RARBRARGRARARXRA
SCHEMBL10729621 0.67 RARB (0.48) TUBB1RARBRARGRARARXRA
SCHEMBL10729613 0.67 RARB (0.48) TUBB1RARBRARGRARARXRA
SCHEMBL7219675 0.64 RARG (0.71) TUBB1RARBRARGRARARXRA
SCHEMBL7219680 0.64 RARG (0.71) TUBB1RARBRARGRARARXRA

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
EP-0232779-B1 VINYL PHENOL DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1988-10-12 — — EP disclosed
US-4714786-A Vinylphenol derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1987-12-22 — — US disclosed
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