SCHEMBL9512653

SCHEMBL9512653

CC(F)Oc1ccc(C(C)(C)c2ccc(OC(C)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ AR P10275 2/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ ESRRG P62508 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PPARG P37231 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
SCHEMBL14130869 0.87 MAPT (0.45) HPGDTSHRHSD17B10ALDH1A1TP53
SCHEMBL10934190 0.82 ALDH1A3 (0.48) HPGDTSHRCYP3A4ARESR1
SCHEMBL6273128 0.78 HPGD (0.39) HPGDTSHRCYP3A4ARESR1
SCHEMBL333514 0.78 HIF1A (0.45) HPGDTSHRCYP3A4ARESR1
SCHEMBL13283362 0.77 NR1H4 (0.53) HPGDTSHRCYP3A4ARESR1
SCHEMBL31125249 0.76 ALDH1A1 (0.48) HPGDTSHRCYP3A4SLC6A4MEN1
SCHEMBL17024119 0.75 HIF1A (0.42) HPGDTSHRCYP3A4ARESR1
SCHEMBL12552792 0.75 ALDH1A1 (0.46) TSHRHSD17B10KMT2AALDH1A1MAPT
SCHEMBL28771457 0.75 ALDH1A1 (0.48) SLC6A4MEN1KMT2AALDH1A1MAPT
SCHEMBL29619680 0.75 ALDH1A1 (0.48) SLC6A4MEN1KMT2AALDH1A1MAPT

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-0347227-B1 Pesticidal compositions DU PONT (US) 1993-11-24 — — EP disclosed
US-5135744-A PALATABLE SOLID PESTICIDAL COMPOSITIONS OF ETHYLENE AND VINYL ACETATE COPOLYMER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-04 — — US disclosed
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