SCHEMBL11744481

SCHEMBL11744481

COc1ccc2cc(C(C)C=O)ccc2c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
PTGS2 P35354 3/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
TSHR P16473 3/20 0.33
PTGS1 P23219 2/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 2/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ERN1 O75460 2/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL11744099 0.83 CYP19A1 (0.44) ALDH1A1LMNARXFP1CA1CA2
SCHEMBL3682240 0.83 SLC6A4 (0.47) ALDH1A1PTGS2AKR1C3AKR1C2TSHR
SCHEMBL11740891 0.83 RXFP1 (0.36) ALDH1A1PTGS2AKR1C3AKR1C2TSHR
SCHEMBL11811733 0.82 KDM4E (0.36) PTGS2AKR1C3AKR1C2TSHRPTGS1
SCHEMBL11736622 0.79 ALDH1A1 (0.43) ALDH1A1LMNAERN1MAPTCA1
SCHEMBL11805455 0.79 AKR1C3 (0.58) PTGS2AKR1C3AKR1C2TSHRPTGS1
SCHEMBL11803543 0.79 CYP1A2 (0.50) ALDH1A1PTGS2AKR1C3AKR1C2TSHR
SCHEMBL11815579 0.77 CYP1A2 (0.41) ALDH1A1TSHRCYP1A2LMNASLC6A2
SCHEMBL16694400 0.76 ACHE (0.50) ALDH1A1TSHRCYP1A2CYP2C9CA1
SCHEMBL16694239 0.76 ACHE (0.50) ALDH1A1TSHRCYP1A2CYP2C9CA1

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
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US claimed
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US disclosed
US-3994968-A 2-(5'-Halo-6'-methoxynaphth-2'-yl)-acrylic acid SYNTEX CORPORATION (PM) 1976-11-30 US disclosed
US-3960957-A 2-(6'-methoxynaphth-2'yl) propionaldoxime and 5'-halo derivatives thereof SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 US disclosed