SCHEMBL11191895

SCHEMBL11191895

O=C(O)Cc1cccc2c(-c3ccccc3)coc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ STING1 Q86WV6 1/20 0.43
▸ CFD P00746 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
Methane SCHEMBL3681148 0.98 TDP1 (0.49) TDP1TP53KDM4EPOLBCA12
SCHEMBL11706481 0.91 TDP1 (0.44) TDP1TP53KDM4EPOLBCA12
SCHEMBL11703638 0.89 CA12 (0.46) TDP1TP53KDM4EPOLBCA12
SCHEMBL11554183 0.89 POLB (0.51) TDP1KDM4EPOLBCA12CA9
SCHEMBL11705101 0.88 ACACA (0.44) TDP1TP53KDM4EPOLBCA12
SCHEMBL11703313 0.86 KMT2A (0.45) TP53KDM4EPOLBSMN1; SMN2PTGER4
SCHEMBL11705295 0.85 PDCD1 (0.49) KDM4EPOLBSMN1; SMN2ALOX15ALOX12
SCHEMBL11700505 0.85 RXRA (0.42) TDP1TP53POLBCA12CA9
SCHEMBL11702876 0.85 MMP2 (0.51) TDP1TP53KDM4ESMN1; SMN2
SCHEMBL11703057 0.85 FFAR1 (0.42) TDP1TP53POLBCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 — — US claimed
US-4391814-A Derivatives of antiphlogistically effective carboxylic acids, their preparation and medicinal use SCHERING AKTIENGESELLSCHAFT (DE) 1983-07-05 — — US disclosed
EP-0054812-A1 Derivatives of antiphlogistically active carboxylic acids, their preparation and medical application SCHERING AKTIENGESELLSCHAFT (DE) 1982-06-30 — — EP disclosed
US-4153619-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1979-05-08 — — US disclosed
US-4124704-A ANTIMICROBIAL RIKER LABORATORIES, INC. (US) 1978-11-07 — — US disclosed
US-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 — — US disclosed
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