SCHEMBL6622364

SCHEMBL6622364

NNc1cc(C(=O)O)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ MAPT P10636 2/20 1.00
▸ TSHR P16473 2/20 0.59
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CASR P41180 1/20 0.52
▸ NPC1 O15118 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SRD5A2 P31213 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ LTB4R Q15722 1/20 0.47
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ LMNA P02545 2/20 0.45

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
Hydrochloric Acid SCHEMBL6624955 0.98 ALDH1A1 (0.96) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL7976731 0.85 ALDH1A1 (0.73) ALDH1A1MAPTTSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL4728655 0.83 ALDH1A1 (0.71) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL27951759 0.83 MAPT (0.71) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL13808926 0.82 ALDH1A1 (0.70) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL1002161 0.82 MAPT (0.69) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL3335783 0.81 ALDH1A1 (0.69) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL9144243 0.80 ALDH1A1 (0.69) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL30578801 0.79 ALDH1A1 (0.65) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4088947 0.79 ALDH1A1 (0.65) ALDH1A1MAPTTSHRMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 — — EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 — — US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 — — EP disclosed
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 — — US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 — — US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 — — US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 — — US disclosed
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