SCHEMBL7389358

SCHEMBL7389358

O=C(CCCCBr)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.67
▸ ALDH1A1 P00352 6/20 0.58
▸ MAPT P10636 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ GMNN O75496 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ PMP22 Q01453 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ CMKLR1 Q99788 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58

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
SCHEMBL7391883 0.98 PTPN1 (0.65) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL3381314 0.85 ALDH1A1 (0.59) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL27819105 0.83 MAPT (0.58) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL3382572 0.83 MAPT (0.58) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL1844647 0.83 ALDH1A1 (0.58) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL9857065 0.83 MEN1 (0.62) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL18156077 0.83 ALDH1A1 (0.58) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL7176337 0.83 ALDH1A1 (0.58) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL27561707 0.83 ALDH1A1 (0.58) PTPN1ALDH1A1MAPTLMNAHPGD
SCHEMBL14652459 0.82 ALDH1A1 (0.56) PTPN1ALDH1A1MAPTLMNAHPGD

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
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 — — EP disclosed
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