SCHEMBL11615733

SCHEMBL11615733

Cc1ccc(C(=O)Oc2cc(C)nn2Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ RAB9A P51151 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ P2RY14 Q15391 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL11615637 0.84 GAA (0.57) MAPTKMT2AALOX15RAB9AGAA
SCHEMBL11612526 0.79 LMNA (0.48) MAPTKMT2AALOX15RAB9AGAA
SCHEMBL20320378 0.78 HDAC3 (0.48) MAPTKMT2AALOX15RAB9AGAA
SCHEMBL11619950 0.76 LMNA (0.55) MAPTKMT2AALOX15RAB9AGAA
SCHEMBL11341104 0.76 KMT2A (0.63) MAPTKMT2AALOX15RAB9AGAA
SCHEMBL11653261 0.76 MAPT (0.50) MAPTKMT2AALOX15GAATDP1
SCHEMBL11615774 0.75 KMT2A (0.53) MAPTKMT2AALOX15RAB9AGAA
SCHEMBL13991168 0.75 PTGS2 (0.42) MAPTKMT2ARAB9ATDP1SMN1; SMN2
SCHEMBL11619002 0.75 GAA (0.47) MAPTKMT2AALOX15RAB9AGAA
SCHEMBL11618190 0.74 RAB9A (0.47) MAPTKMT2AALOX15RAB9AGAA

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
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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