SCHEMBL31757305

SCHEMBL31757305

CCCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 15/20 0.61
▸ ESR2 Q92731 12/20 0.61
▸ CYP3A4 P08684 4/20 0.59
▸ SLC6A2 P23975 3/20 0.59
▸ SLC6A4 P31645 3/20 0.59
▸ SLC6A3 Q01959 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ AR P10275 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HTR6 P50406 1/20 0.59
▸ ESRRG P62508 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 2/20 0.43
▸ TYR P14679 1/20 0.43
▸ SHBG P04278 2/20 0.41
▸ ADRA2A P08913 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ TACR2 P21452 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29215577 0.95 ESR1 (0.57) ESR1ESR2CYP3A4SLC6A2SLC6A4
SCHEMBL31757304 0.93 ESR1 (0.55) ESR1ESR2CYP3A4SLC6A2SLC6A4
SCHEMBL3020449 0.92 ESR1 (0.70) ESR1ESR2CYP3A4SLC6A2SLC6A4
SCHEMBL7806611 0.89 ESR1 (0.64) ESR1ESR2CYP3A4SLC6A2SLC6A4
SCHEMBL6743316 0.86 ESR1 (0.62) ESR1ESR2CYP3A4SLC6A2SLC6A4
SCHEMBL3137055 0.85 ESR2 (0.61) ESR1ESR2CYP3A4ALDH1A1
SCHEMBL6744335 0.85 ESR1 (0.60) ESR1ESR2CYP3A4SLC6A2SLC6A4
SCHEMBL6743890 0.85 ESR1 (0.60) ESR1ESR2CYP3A4SLC6A2SLC6A4
SCHEMBL1691543 0.85 ESR1 (0.60) ESR1ESR2CYP3A4SLC6A2SLC6A4
SCHEMBL3151404 0.84 ESR1 (0.59) ESR1ESR2CYP3A4SLC6A2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954745-B1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME KK PILOT CORPORATION ALSO TRADING AS PILOT CORPORATION (JP) 2026-01-07 — — EP disclosed
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