SCHEMBL22175191

SCHEMBL22175191

O=C(C1=CC=CCC=C1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRD5A2 P31213 1/20 0.39
HPGDS O60760 1/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL22379202 0.92 ATM (0.55) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL22241279 0.80 KMT2A (0.53) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL8680797 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL8680793 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL22881725 0.75 TSHR (0.59) ALDH1A1TDP1CA2CA4CA12
SCHEMBL4242995 0.70 ALDH1A1 (0.48) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL13736506 0.69 ALDH1A1 (0.46) ALDH1A1L3MBTL1ATMTDP1SRD5A2
Benzophenone SCHEMBL9310484 0.69 ALDH1A1 (0.52) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL18197334 0.69 PTGS1 (0.40) ALDH1A1L3MBTL1ATMMEN1KMT2A
SCHEMBL6903428 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1ATMTDP1SRD5A2

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
WO-2020138645-A1 POLYAMIC ACID COMPOSITION AND TRANSPARENT POLYIMIDE FILM USING SAME 주식회사 두산 2020-07-02 WO disclosed