SCHEMBL29427761

SCHEMBL29427761

COc1ccc(C(F)(F)F)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TRIM24 O15164 1/20 0.47
▸ TYR P14679 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10656799 1.00 ALDH1A1 (0.49) ALDH1A1GAANPC1RAB9ACYP3A4
SCHEMBL755578 0.84 ALDH1A1 (0.53) ALDH1A1GAANPC1RAB9ACYP3A4
SCHEMBL17286693 0.82 ALDH1A1 (0.48) ALDH1A1GAANPC1RAB9ACYP3A4
SCHEMBL11440351 0.82 ALDH1A1 (0.58) ALDH1A1GAANPC1RAB9ACYP3A4
SCHEMBL7909509 0.82 CA12 (0.56) ALDH1A1GAACYP3A4HPGDSMN1; SMN2
SCHEMBL31193485 0.82 CA12 (0.56) ALDH1A1GAACYP3A4HPGDSMN1; SMN2
SCHEMBL4628852 0.81 EPHX2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL24436823 0.78 CYP3A4 (0.51) ALDH1A1GAACYP3A4MAPK1HPGD
SCHEMBL21446957 0.78 CYP11B1 (0.44) GAACA12CA1CA2CA7
SCHEMBL15305003 0.78 CYP11B2 (0.59) EPHX2CYP11B1CYP11B2PGRAR

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
CN-116507613-A Bispecific antagonists of retinol binding protein 4 which stabilize transthyretin tetramer, their preparation and use in the treatment of common age-related complications 纽约哥伦比亚大学理事会 2023-07-28 — — CN disclosed
EP-4181909-A2 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES The Trustees Of Columbia University In The City Of New York (US) 2023-05-24 — — EP disclosed
WO-2022020305-A2 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-01-27 — — WO disclosed
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