SCHEMBL27878271

SCHEMBL27878271

Cc1ccc(C(=O)OO)c(C)c1C(=O)OO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL9243117 0.84 KMT2A (0.37) KMT2AMEN1HSD17B10NPC1RAB9A
SCHEMBL28455094 0.83 POLB (0.35) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL28760512 0.83 TSHR (0.38) KMT2AMEN1HSD17B10NPC1RAB9A
SCHEMBL13199184 0.80 CA12 (0.45) KMT2AMEN1HSD17B10HPGDTSHR
SCHEMBL11702223 0.78 SMN1; SMN2 (0.36) HSD17B10NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL27286816 0.78 ABL1 (0.33) KMT2AHSD17B10HPGDTSHRALDH1A1
SCHEMBL11055735 0.77 TSHR (0.55) KMT2AMEN1HSD17B10SMN1; SMN2HPGD
SCHEMBL27504360 0.77 TSHR (0.33) TSHRCA12CA1CA2CA7
SCHEMBL311150 0.75 CYP1A2 (0.42) HSD17B10HPGDTSHRALDH1A1
SCHEMBL743208 0.74 ALDH1A1 (0.30) ALDH1A1

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-110128647-A A kind of virtue amide polymer and its application 重庆工商大学 2019-08-16 — — CN claimed
CN-102575029-A Polyester film with improved oil repellency DU PONT 2012-07-11 — — CN disclosed
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