SCHEMBL19941543

SCHEMBL19941543

Cc1cccc(N(CCOCCOCCOS(=O)(=O)O)CCOCCOS(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ PAX8 Q06710 2/20 0.34
▸ GPX4 P36969 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL9873109 0.92 RECQL (0.41) LMNARECQLPOLBCYP1A2CYP3A4
SCHEMBL9872251 0.85 CYP3A4 (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7639671 0.82 ALDH1A1 (0.40) LMNARECQLPOLBCYP1A2CYP3A4
SCHEMBL18430458 0.82 GLA (0.33) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16576617 0.81 ALDH1A1 (0.39) LMNACYP3A4ALDH1A1RAB9ANPC1
SCHEMBL18357518 0.80 CA1 (0.31) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL7045574 0.80 CYP1A2 (0.48) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16576953 0.79 TAAR1 (0.39) RECQLCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19938116 0.78 CNR1 (0.41) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5526595 0.78 CNR1 (0.41) LMNACYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10655091-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2020-05-19 — — US disclosed
US-20190345415-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2019-11-14 — — US disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 — — US disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 — — US disclosed
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