SCHEMBL3100341

SCHEMBL3100341

Oc1c(Br)cc(Cl)cc1CCc1cc(Cl)cc(Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
HIF1A Q16665 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 1/20 0.36
HSP90AA1 P07900 2/20 0.36
AKR1B1 P15121 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36

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
SCHEMBL930175 0.90 ERN1 (0.44) ERN1HIF1ACYP2C9CYP2C19CYP3A4
SCHEMBL67605 0.86 CYP2C9 (0.53) ERN1HIF1ACYP2C9CYP2C19CYP3A4
SCHEMBL11591823 0.84 ERN1 (0.47) ERN1HIF1ACYP2C9CYP2C19CYP3A4
SCHEMBL6275851 0.84 ERN1 (0.47) ERN1HIF1ACYP2C9CYP2C19CYP3A4
SCHEMBL13888155 0.83 ERN1 (0.50) ERN1HIF1ACYP2C9CYP2C19CYP3A4
SCHEMBL7119646 0.80 ERN1 (0.60) ERN1HIF1ACYP3A4TSHRALDH1A1
SCHEMBL6272760 0.79 TTR (0.42) TSHRALDH1A1HSD17B10HPGDALOX15
SCHEMBL13424254 0.78 CA12 (0.42) ERN1HIF1ACYP2C9CYP2C19ALDH1A1
SCHEMBL4021512 0.78 ERN1 (0.55) ERN1HIF1ACYP2C9CYP2C19CYP3A4
SCHEMBL930281 0.78 ERN1 (0.46) ERN1HIF1ACYP2C9CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4120992-A1 COMPOSITION Unilever IP Holdings B.V. (NL) 2023-01-25 EP disclosed
US-7803604-B2 Amylolytic enzyme extracted from Bacillus sp. A 7-7 (DSM 12368) and washing and cleaning agents containing this novel amylolytic enzyme HENKEL AG & CO. KGAA (DE) 2010-09-28 US disclosed
US-20090120555-A1 Novel amylolytic enzyme extracted from Bacillus sp. A 7-7 (DSM 12368) and washing and cleaning agents containing this novel amylolytic enzyme HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2009-05-14 US disclosed