SCHEMBL7822002

SCHEMBL7822002

CC(C)(C)c1cc(I)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPRA P18433 1/20 0.43
▸ PTPRB P23467 1/20 0.43
▸ PTPRE P23469 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ GLRA3 O75311 1/20 0.42
▸ GLRB P48167 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ TPMT P51580 1/20 0.40
▸ MAP2K1 Q02750 5/20 0.40
▸ MAP2K2 P36507 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ CA12 O43570 1/20 0.36

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
SCHEMBL695647 0.80 CES2 (0.48) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1355541 0.78 TDP1 (0.54) PTPN1GLRA3GLRBTDP1RXRB
SCHEMBL38809 0.78 ALDH1A1 (0.57) PTPN1GLRA3GLRBTDP1RXRB
SCHEMBL29654078 0.78 ALDH1A1 (0.57) PTPN1GLRA3GLRBTDP1RXRB
SCHEMBL4631399 0.78 TDP1 (0.59) GLRA3GLRBTDP1RXRBALDH1A1
SCHEMBL9139315 0.78 CSNK2A1 (0.53) GLRA3GLRBTDP1RXRBCYP1A2
SCHEMBL522679 0.76 PTPN1 (0.55) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL455239 0.76 KEAP1 (0.50) GLRA3GLRBTDP1RXRBCYP1A2
SCHEMBL14994077 0.76 SMN1; SMN2 (0.59) TSHRALDH1A1GRIK1CA1CA2
SCHEMBL460892 0.76 KDM4E (0.57) PTPN1GLRA3GLRBTDP1RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593285-B1 Intermediates, and processes thereto, for the preparation of 5,6-dihydropyrrolo[2,3-d]pyrimidines LILLY CO ELI (US) 2001-12-12 — — EP disclosed
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 — — US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 — — EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 — — EP disclosed
US-5382668-A Processes for the preparation of 5,6-di-hydropyrrolo[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1995-01-17 — — US disclosed
EP-0593285-A2 Intermediates, and processes there to, for the preparation of 5,6-dihydropyrrolo[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1994-04-20 — — EP disclosed
US-5302722-A 3-carboxy-pyrrole derivatives ELI LILLY AND COMPANY (US) 1994-04-12 — — US disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 — — WO disclosed
US-5254716-A Intermediates, and processes thereto, for the preparation of 5,6-dihydropyrrolo[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1993-10-19 — — US disclosed
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