SCHEMBL31214582

SCHEMBL31214582

O=C(O)c1cccc(-c2ccc(Br)c(C(=O)O)c2Br)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.50
▸ FOLH1 Q04609 2/20 0.49
▸ RXRA P19793 2/20 0.45
▸ RXRB P28702 2/20 0.45
▸ AKR1C3 P42330 3/20 0.45
▸ AKR1C2 P52895 3/20 0.45
▸ DDT P30046 1/20 0.44
▸ MEP1B Q16820 4/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ MEP1A Q16819 1/20 0.41
▸ CD74 P04233 1/20 0.41
▸ MIF P14174 1/20 0.41

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
SCHEMBL11125480 0.77 KMO (0.61) KMOFOLH1RXRARXRBDDT
SCHEMBL16749639 0.75 KMO (0.69) KMOFOLH1RXRARXRBAKR1C3
SCHEMBL29386545 0.75 KMO (0.69) KMOFOLH1RXRARXRBAKR1C3
SCHEMBL49145 0.74 FOLH1 (0.56) KMOFOLH1RXRARXRBAKR1C3
SCHEMBL30259065 0.74 KMO (0.73) KMOFOLH1RXRARXRBDDT
SCHEMBL2213546 0.74 KMO (0.73) KMOFOLH1RXRARXRBDDT
SCHEMBL16601999 0.73 KMO (0.56) KMOFOLH1RXRARXRBAKR1C3
SCHEMBL17205336 0.73 KMO (0.51) KMOFOLH1RXRARXRBAKR1C3
SCHEMBL71238 0.73 KMO (0.86) KMORXRARXRBKEAP1CD74
SCHEMBL29904709 0.73 KMO (0.86) KMORXRARXRBKEAP1CD74

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
CN-118994907-A Light-weight high-strength flexible polyarylene sulfide composite material and preparation and application thereof 新凝合科技(成都)有限公司 2024-11-22 — — CN claimed
CN-118994907-A Light-weight high-strength flexible polyarylene sulfide composite material and preparation and application thereof 新凝合科技(成都)有限公司 2024-11-22 — — CN disclosed
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