SCHEMBL21055040

SCHEMBL21055040

C=CC(C)CCCC(C)CCCC(C)(C)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.40
▸ ESR1 P03372 11/20 0.39
▸ ESR2 Q92731 11/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ LMNA P02545 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ AR P10275 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ESRRG P62508 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CNR1 P21554 2/20 0.30

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
SCHEMBL22021551 0.83 TDP1 (0.36) CYP3A4MEN1KMT2AALOX15
SCHEMBL21054984 0.82 SHBG (0.44) SHBGESR1ESR2CYP3A4MEN1
SCHEMBL10411896 0.80 SHBG (0.46) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL10410139 0.79 SHBG (0.44) SHBGESR1ESR2CYP3A4MEN1
SCHEMBL25230502 0.76 SHBG (0.52) SHBGESR1ESR2CYP3A4MEN1
SCHEMBL28477537 0.74 SHBG (0.68) SHBGESR1ESR2CYP3A4MEN1
SCHEMBL10411897 0.73 SHBG (0.48) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL10410405 0.73 SHBG (0.39) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL10411816 0.72 ALOX15 (0.42) SHBGESR1ESR2CYP3A4ALOX15
SCHEMBL10411352 0.72 SHBG (0.36) SHBGESR1ESR2CYP3A4MEN1

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
US-20210230498-A1 Alkylphenol Detergents LUBRIZOL CORP (US) 2021-07-29 — — US disclosed
US-20210230498-A1 Alkylphenol Detergents LUBRIZOL CORP (US) 2021-07-29 — — US disclosed
EP-3720935-A1 ALKYLPHENOL DETERGENTS The Lubrizol Corporation (US) 2020-10-14 — — EP disclosed
WO-2019112720-A1 ALKYLPHENOL DETERGENTS THE LUBRIZOL CORPORATION (US) 2019-06-13 — — WO disclosed
WO-2019112720-A1 ALKYLPHENOL DETERGENTS THE LUBRIZOL CORPORATION (US) 2019-06-13 — — WO disclosed
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