SCHEMBL8424025

SCHEMBL8424025

O=C(O)C1CCOC(CSc2ccc(Oc3ccc(Br)cc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ S1PR1 P21453 1/20 0.32

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
SCHEMBL8423721 0.89 ALDH1A1 (0.39) ALDH1A1CRBNSMN1; SMN2HPGDCTSK
SCHEMBL8425464 0.89 S1PR5 (0.44) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL8424170 0.86 ALDH1A1 (0.49) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL8423697 0.79 MMP2 (0.43) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL8424066 0.77 HPGD (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8423588 0.75 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL8427523 0.71 ALDH1A1 (0.46) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL6858259 0.70 ADAM17 (0.47) —
SCHEMBL8425302 0.69 MMP2 (0.50) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5139048 0.69 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2ALMNA

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
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
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